2-hexyldecyl 4-hydroxybenzoate

C23H38O3 — CID 22218872

IUPAC2-hexyldecyl 4-hydroxybenzoate
SMILESCCCCCCCCC(CCCCCC)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C23H38O3/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-26-23(25)21-15-17-22(24)18-16-21/h15-18,20,24H,3-14,19H2,1-2H3
InChIKeyAWTUIOQHXHBRDW-UHFFFAOYSA-N
MW362.55 g/mol
LogP6.89
Rot. Bonds15

About 2-hexyldecyl 4-hydroxybenzoate

2-hexyldecyl 4-hydroxybenzoate (PubChem CID 22218872) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 2-hexyldecyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-hexyldecyl 4-hydroxybenzoate
PubChem CID22218872
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name2-hexyldecyl 4-hydroxybenzoate
SMILESCCCCCCCCC(CCCCCC)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C23H38O3/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-26-23(25)21-15-17-22(24)18-16-21/h15-18,20,24H,3-14,19H2,1-2H3
InChIKeyAWTUIOQHXHBRDW-UHFFFAOYSA-N
XLogP6.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Benzyl 4-Hydroxybenzoate
CID 7180
2-Ethylhexyl salicylate
CID 8364
Heptyl p-hydroxybenzoate
CID 14138
Methyl anisate
CID 8499
4-Methoxybenzoic Acid
CID 7478
Isoamyl salicylate
CID 6874
Ethyl 3,4-Dihydroxybenzoate
CID 77547

Frequently Asked Questions

What is the IUPAC name of 2-hexyldecyl 4-hydroxybenzoate?
The IUPAC name of 2-hexyldecyl 4-hydroxybenzoate (CID 22218872) is 2-hexyldecyl 4-hydroxybenzoate.
What is the SMILES notation for 2-hexyldecyl 4-hydroxybenzoate?
The canonical SMILES for 2-hexyldecyl 4-hydroxybenzoate is CCCCCCCCC(CCCCCC)COC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-hexyldecyl 4-hydroxybenzoate?
The InChIKey is AWTUIOQHXHBRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-26-23(25)21-15-17-22(24)18-16-21/h15-18,20,24H,3-14,19H2,1-2H3.
What are the key properties of 2-hexyldecyl 4-hydroxybenzoate?
2-hexyldecyl 4-hydroxybenzoate has a molecular weight of 362.55 g/mol, XLogP of 6.89, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldecyl 4-hydroxybenzoate is sourced from PubChem (CID 22218872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).